[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methanone

Systemtic Name: [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methanone Openeye Name: [3-(4-methyl-1H-pyrazol-5-yl)-1-piperidyl]-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methanone CAS Name: [3-(4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methanone IUPAC Name: [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methanone Traditional Name: [3-(4-methyl-1H-pyrazol-5-yl)piperidino]-(1-oxidobenzofurazan-1-ium-5-yl)methanone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2CCCN(C2)C(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

CC1=C(NN=C1)C2CCCN(C2)C(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C16H17N5O3/c1-10-8-17-18-15(10)12-3-2-6-20(9-12)16(22)11-4-5-14-13(7-11)19-24-21(14)23/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,17,18)